MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01028232

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.71
C48	N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE	A	1CVZ	0.71
464	3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE	A	2PE2	0.72
DMY	DISTAMYCIN A	A	217D	0.77
DMY	DISTAMYCIN A	A	1K2Z	0.77
DMY	DISTAMYCIN A	A,B,E,F	2JT7	0.77
DMY	DISTAMYCIN A	A,B	267D	0.77
DMY	DISTAMYCIN A	A	306D	0.77
DMY	DISTAMYCIN A	A	304D	0.77
DMY	DISTAMYCIN A	A	305D	0.77
DMY	DISTAMYCIN A	A	1JUX	0.77
DMY	DISTAMYCIN A	A	2DND	0.77
DMY	DISTAMYCIN A	A,B,C,D	378D	0.77
DMY	DISTAMYCIN A	B	1JTL	0.77
DMY	DISTAMYCIN A	A	159D	0.77
DMY	DISTAMYCIN A	A	216D	0.77
517	1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA	A	2PE1	0.71
HP1	IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE	A,B	407D	0.72
H7J	N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE	A,B,C	2HXZ	0.7
H7J	N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE	A,B	2H7J	0.7
163	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1O0D	0.77
IIP	IMIDAZOLE-PYRROLE POLYAMIDE	A,B	365D	0.73
CMI	1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE	B	1LQD	0.7
9HX	9-DEAZAHYPOXANTHINE	A,B,C	1I80	0.8
19A	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE	A	2OJG	0.73
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.7
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.7
9DG	9-DEAZAGUANINE	A,B,C,D,E	1Q2S	0.78
9DG	9-DEAZAGUANINE	A	1IL4	0.78
9DG	9-DEAZAGUANINE	A,C	1FSG	0.78
9DG	9-DEAZAGUANINE	A,B,C,D	1Q2R	0.78
CDB	2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-3- METHYL-6-PYRIDINYL)METHYL]ACETAMIDE	B,C	1MU8	0.7
34Q	(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine	A	2RIP	0.72
CDA	2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-6- PYRIDINYL)METHYL]ACETAMIDE	B,C	1MU6	0.74
DBQ	DEBROMOHYMENIALDISINE	A	2C3J	0.78
DBQ	DEBROMOHYMENIALDISINE	A,B	1U4D	0.78
DBQ	DEBROMOHYMENIALDISINE	A	2CN8	0.78
DBQ	DEBROMOHYMENIALDISINE	A	1Z57	0.78
162	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1NZQ	0.76
2AZ	N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL- 5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1- F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]- 4-METHYLBENZAMIDE	A,B,D,E	2GM1	0.79